Crystallography Open Database

Information card for entry 4314731

Preview

Coordinates	4314731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H88 Cu7 N12 O57
Calculated formula	C48 H88 Cu7 N12 O57
Title of publication	Unprecedented Marriage of a Cationic Pentanuclear Cluster and a 2D Polymeric Anionic Layer Based on a Flexible Tripodal Ligand and a CuII Ion
Authors of publication	Zheng-Bo Han; Guo-Xin Zhang; Ming-Hua Zeng; Da-Qiang Yuan; Qian-Rong Fang; Jian-Rong Li; Joan Ribas; Hong-Cai Zhou
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	769 - 771
a	11.8612 ± 0.0014 Å
b	12.8546 ± 0.0015 Å
c	16.8747 ± 0.0019 Å
α	71.216 ± 0.002°
β	79.836 ± 0.002°
γ	65.431 ± 0.001°
Cell volume	2212.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179227 (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 4/31/47.	4314731.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314731.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314731.cif
7874	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314731 via cif-deposit CGI script.	4314731.cif