Crystallography Open Database

Information card for entry 4501707

Preview

Coordinates	4501707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H78 Cu2 N20 O24 S2
Calculated formula	C73 H72 Cu2 N20 O24 S2
Title of publication	Solvent-Mediated Central Metals Transformation from a Tetranuclear NiIICage to a Decanuclear CuII“Pocket”
Authors of publication	Pan, Fangfang; Wu, Jie; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	9
Pages of publication	3835
a	15.134 ± 0.003 Å
b	15.84 ± 0.003 Å
c	23.066 ± 0.005 Å
α	101.5 ± 0.03°
β	98 ± 0.03°
γ	116.73 ± 0.03°
Cell volume	4671 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.116
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1874
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
179548 (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 4/50/17.	4501707.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501707.cif
36046	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501705, 4501706, 4501707 via cif-deposit CGI script.	4501707.cif