Crystallography Open Database

Information card for entry 7210163

Preview

Coordinates	7210163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H108 Dy8 N12 O44 Si
Calculated formula	C148 H108 Dy8 N12 O44 Si
SMILES	C[O]1c2cccc3c2[O]2[Dy]456789[N](=C3)c3ccccc3C3=[O][Dy]%10%11%12%13%14%15([O]53)[O]=C(O[Dy]35%16%17%18%19%20[O]=C([O]7[Dy]7%21%22%23%24%25[N](=Cc%26cccc(c%26[O]5%21)[O]3C)c3ccccc3C3[O]%22[Dy]5%21%22%26%27([O](C)c%28cccc%29c%28[O]5[Dy]5%28%30%31%32%33[N](=C%29)c%29ccccc%29C%29[O]%28[Dy]%2812([O]8%10[Si]([O]%19%25%26)([O]%15%20[Dy]128%10([N](=Cc%15cccc(c%15[O]%121)[O]%11C)c1ccccc1C([O]%162)=[O]%17)([N](=Cc1cccc(OC)c1O8)c1ccccc1C([O]%31%10)=[O]%21)[O]%32C(=[O]%13)c1c([N]5=Cc2cccc(OC)c2O%30)cccc1)[O]%27%33%28)([O]=%29)([O]=C([O]9%24)c1c([N]7=Cc2cccc(OC)c2O%23)cccc1)([O]=C(c1ccccc1N)O%22)OC(=[O]%14)c1ccccc1N)([O]=3)[O]=C(c1ccccc1N)O%18)c1c([N]4=Cc2cccc(OC)c2O6)cccc1)c1ccccc1N
Title of publication	A unique μ8-silicate-bridged octametallic [Dy8SiO4] complex exhibiting slow magnetic relaxation
Authors of publication	She, Shi-Xiong; Zaworotko, Michael J.; Liu, Wei; Zhang, Zhu-Xiu; Li, Yahong
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	25
Pages of publication	5003
a	16.2454 ± 0.0005 Å
b	16.2454 ± 0.0005 Å
c	26.0964 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6887.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180432 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/01.	7210163.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7210163.cif
87047	2013-07-13	cif/ Adding structures of 7210163 via cif-deposit CGI script.	7210163.cif