Crystallography Open Database

Information card for entry 4001621

Preview

Coordinates	4001621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H57 Br2 Cl9 Cu2 N2 P4
Calculated formula	C73 H57 Br2 Cl9 Cu2 N2 P4
Title of publication	Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine
Authors of publication	Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	3
Pages of publication	480
a	18.5561 ± 0.0004 Å
b	18.5561 ± 0.0004 Å
c	21.2628 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	6340.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.1139
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.2175
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001621.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001621.cif
51850	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4001621, 4001622 via cif-deposit CGI script.	4001621.cif