Crystallography Open Database

Information card for entry 4501489

Preview

Coordinates	4501489.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Zn(F1)2(H2O)](ClO4)2
Formula	C30 H26 Cl2 N12 O9 Zn
Calculated formula	C30 H26 Cl2 N12 O9 Zn
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	21.256 ± 0.003 Å
b	21.256 ± 0.003 Å
c	15.112 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6827.9 ± 1.9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4501489.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501489.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.	4501489.cif