Crystallography Open Database

Information card for entry 7212035

7212034 << 7212035 >> 7212036

Preview

Coordinates	7212035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H51 Cd3 N6 O18.5
Calculated formula	C62 H50 Cd3 N6 O18.5
Title of publication	pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties
Authors of publication	Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	2157
a	8.195 ± 0.001 Å
b	12.631 ± 0.001 Å
c	14.299 ± 0.001 Å
α	98.722 ± 0.001°
β	97.515 ± 0.001°
γ	93.299 ± 0.001°
Cell volume	1445.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
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.	7212035.cif
92568	2014-01-12	cif/ Adding structures of 7212034, 7212035, 7212036, 7212037, 7212038, 7212039 via cif-deposit CGI script.	7212035.cif