Crystallography Open Database

Information card for entry 7027445

Preview

Coordinates	7027445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Cl2 Cu N4 O4
Calculated formula	C28 H14 Cl4 Cu N4 O4
Title of publication	Synthesis, crystal structure and properties of trigonal bipyramidal [M(L5)2(H2O)]·H2O complexes [M = cobalt(II) (S = 3/2) or copper(II) (S = 1/2); HL5 = N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide]
Authors of publication	Patra, Apurba Kumar; Ray, Manabendra; Mukherjee, Rabindranath
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	15
Pages of publication	2461
a	21.139 ± 0.007 Å
b	15.858 ± 0.006 Å
c	15.665 ± 0.006 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	5251 ± 3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections	0.06
Weighted residual factors for significantly intense reflections	0.054
Goodness-of-fit parameter for all reflections	2.569
Goodness-of-fit parameter for significantly intense reflections	3.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoK-alpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7027445.cif
95383	2014-01-28	cif/ Adding structures of 7027445, 7027446 via cif-deposit CGI script.	7027445.cif