Crystallography Open Database

Information card for entry 4501490

Preview

Coordinates	4501490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 N12 O18 Zn4
Calculated formula	C54 H38 N12 O18 Zn4
Title of publication	Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate
Authors of publication	Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1911
a	8.715 ± 0.0008 Å
b	11.6095 ± 0.001 Å
c	27.89 ± 0.003 Å
α	90°
β	93.091 ± 0.002°
γ	90°
Cell volume	2817.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0729
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
179545 (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 4/50/14.	4501490.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501490.cif
35949	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501489, 4501490, 4501491, 4501492, 4501493, 4501494, 4501495 via cif-deposit CGI script.	4501490.cif