Crystallography Open Database

Information card for entry 4324996

Preview

Coordinates	4324996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.5 H115.5 K2 N12.5 O19.5 Zn2
Calculated formula	C85.5 H115.5 K2 N12.5 O19.5 Zn2
Title of publication	Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand
Authors of publication	Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4107 - 4115
a	22.2621 ± 0.0014 Å
b	35.414 ± 0.002 Å
c	27.293 ± 0.002 Å
α	90°
β	112.816 ± 0.001°
γ	90°
Cell volume	19834 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324996.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324996.cif
43447	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324996 via cif-deposit CGI script.	4324996.cif