Crystallography Open Database

Information card for entry 4506944

Preview

Coordinates	4506944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 Cu2 N5 O9
Calculated formula	C30 H26 Cu2 N5 O9
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	29.597 ± 0.002 Å
b	12.3396 ± 0.0007 Å
c	8.1299 ± 0.0004 Å
α	90°
β	94.17 ± 0.005°
γ	90°
Cell volume	2961.3 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	4506944.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506944.cif
71900	2013-01-21	cif/ Adding structures of 4506944, 4506945, 4506946 via cif-deposit CGI script.	4506944.cif