Crystallography Open Database

Information card for entry 4506945

Preview

Coordinates	4506945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H41 Cu3 N8 O10
Calculated formula	C43 H41 Cu3 N8 O10
Title of publication	Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers
Authors of publication	Liu, Juan; Tan, Yan-Xi; Zhang, Jian
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5164
a	9.2091 ± 0.0007 Å
b	22.7532 ± 0.0016 Å
c	23.0902 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4838.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1601
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2323
Weighted residual factors for all reflections included in the refinement	0.2755
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179605 (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 4/50/69.	4506945.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506945.cif
71900	2013-01-21	cif/ Adding structures of 4506944, 4506945, 4506946 via cif-deposit CGI script.	4506945.cif