Crystallography Open Database

Information card for entry 4104446

Preview

Coordinates	4104446.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5,20-diphenyl-10,15-ditolyl-2-oksa-3-okso-21 -diphenylphosphoryloporhyrinato copper(II) dichloromathane disolvate
Formula	C60 H44 Cl4 Cu N3 O3 P
Calculated formula	C60 H44 Cl4 Cu N3 O3 P
Title of publication	Organocopper(II) Complex of 21-Diphenylphosphoryl-Carbaporpholactone Hybrid: A Side-On Coordination Mode of Copper(II)
Authors of publication	Norbert Grzegorzek; Miłosz Pawlicki; Ludmiła Szterenberg; Lechosław Latos-Grażyński
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	7224 - 7225
a	10.934 ± 0.002 Å
b	14.085 ± 0.003 Å
c	18.36 ± 0.004 Å
α	68.08 ± 0.03°
β	76.48 ± 0.03°
γ	76.01 ± 0.03°
Cell volume	2512.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
178790 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/44.	4104446.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104446.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104446.cif
29470	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104446 via cif-deposit CGI script.	4104446.cif