Crystallography Open Database

Information card for entry 4500193

Preview

Coordinates	4500193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N8 Ni O6 S
Calculated formula	C24 H16 N8 Ni O6 S
Title of publication	Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene
Authors of publication	Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1082
a	9.943 ± 0.002 Å
b	21.71 ± 0.005 Å
c	13.266 ± 0.003 Å
α	90°
β	97.638 ± 0.004°
γ	90°
Cell volume	2838.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179532 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/01.	4500193.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500193.cif
34397	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500190, 4500191, 4500192, 4500193, 4500194 via cif-deposit CGI script.	4500193.cif