Crystallography Open Database

Information card for entry 4321211

Preview

Coordinates	4321211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H68 Cu7 N10 O30
Calculated formula	C74 H68 Cu7 N10 O30
Title of publication	Preparation of a Chiral, 2-Dimensional Network Containing Metallacrown and Copper Benzoate Building Blocks
Authors of publication	Jeffrey J. Bodwin; Vincent L. Pecoraro
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3434 - 3435
a	10.944 ± 0.004 Å
b	14.268 ± 0.005 Å
c	16.091 ± 0.006 Å
α	90.476 ± 0.006°
β	101.819 ± 0.007°
γ	93.738 ± 0.007°
Cell volume	2453.5 ± 1.5 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2251
Weighted residual factors for all reflections included in the refinement	0.2412
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179315 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/12.	4321211.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321211.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321211.cif
18561	2011-05-02	../uploads/cif-deposit/cod/cif Adding structures of 4321211 via cif-deposit CGI script.	4321211.cif