Crystallography Open Database

Information card for entry 4508969

Preview

Coordinates	4508969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H48 N5 Ni2 O9.5
Calculated formula	C52 H42 N4 Ni2 O9
Title of publication	One-, Two-, and Three-Dimensional Coordination Polymers of Stilbenedicarboxylate with Different Metal Ions
Authors of publication	Ma, Yu; Cheng, Ai-Ling; Zhang, Jian-Yong; Yue, Qi; Gao, En-Qing
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	2
Pages of publication	867
a	15.8465 ± 0.0014 Å
b	15.8465 ± 0.0014 Å
c	21.775 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5468 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.1301
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.199
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4508969.cif
97055	2014-01-29	cif/ Adding structures of 4508969 via cif-deposit CGI script.	4508969.cif