Crystallography Open Database

Information card for entry 7027337

Preview

Coordinates	7027337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H39.5 Cl2 N6 O11.25 Zn
Calculated formula	C16.5 H32 Cl2 N6 O11.25 Zn
Title of publication	First synthesis and characterization of zinc(II) complexes containing N-glycosides derived from ethylenediamine and D-glucosamine
Authors of publication	Yano, Shigenobu; Inoue, Sahoko; Yasuda, Yukiko; Tanase, Tomoaki; Mikata, Yuji; Kakuchi, Toyoji; Tsubomura, Taro; Yamasaki, Mikio; Kinoshita, Isamu; Doe, Matsumi
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	11
Pages of publication	1851
a	16.3 ± 0.007 Å
b	23.398 ± 0.005 Å
c	15.791 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6022 ± 3 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for all reflections	0.0916
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections	1.252
Goodness-of-fit parameter for all reflections included in the refinement	1.253
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027337.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 {}'	7027337.cif
95278	2014-01-28	cif/ Adding structures of 7027337 via cif-deposit CGI script.	7027337.cif