Crystallography Open Database

Information card for entry 4104447

Preview

Coordinates	4104447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H54 Cl3 N3 O3.5 P
Calculated formula	C63 H54 Cl3 N3 O3.5 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	16.573 ± 0.003 Å
b	18.521 ± 0.004 Å
c	19.981 ± 0.004 Å
α	105.37 ± 0.03°
β	90.18 ± 0.03°
γ	94.18 ± 0.03°
Cell volume	5896 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1566
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.259
Weighted residual factors for all reflections included in the refinement	0.2938
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4104447.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104447.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104447.cif
29471	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104447 via cif-deposit CGI script.	4104447.cif