Crystallography Open Database

Information card for entry 4313607

Preview

Coordinates	4313607.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cu(4)2](OAc)2-4(H2O)
Formula	C34 H38 Cu N12 O8
Calculated formula	C34 H38 Cu N12 O8
Title of publication	Novel Metal-Organic Frameworks with Specific Topology from New Tripodal Ligands: 1,3,5-Tris(1-imidazolyl)benzene and 1,3-Bis(1-imidazolyl)-5-(imidazol-1-ylmethyl)benzene
Authors of publication	Jian Fan; Wei-Yin Sun; Taka-aki Okamura; Wen-Xia Tang; Norikazu Ueyama
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3168 - 3175
a	8.2969 ± 0.0005 Å
b	12.2834 ± 0.0005 Å
c	17.4667 ± 0.0012 Å
α	90°
β	96.574 ± 0.001°
γ	90°
Cell volume	1768.4 ± 0.18 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0541
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179198 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/36.	4313607.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313607.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313607.cif
6676	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313607 via cif-deposit CGI script.	4313607.cif