Crystallography Open Database

Information card for entry 4320478

4320477 << 4320478 >> 4320479

Preview

Coordinates	4320478.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CUOPP2EPZ(3)
Formula	C38 H42 Cl2 Cu N4 O4 P2
Calculated formula	C38 H42 Cl2 Cu N4 O4 P2
SMILES	Cc1cc(C)n(CCOP(=O)(c2ccccc2)c2ccccc2)[n]1[Cu]([n]1c(C)cc(C)n1CCOP(=O)(c1ccccc1)c1ccccc1)(Cl)Cl
Title of publication	Tethered Pyrazolyl Phosphinate: Pyrazolyl-N- and Phosphoryl-O-Metal Coordination in Ph2P(O){OCH2CH2(3,5-Me2Pz)}
Authors of publication	Savariraj Kingsley; Vadapalli Chandrasekhar; Christopher D. Incarvito; Matthew K. Lam; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5890 - 5896
a	7.678 ± 0.0018 Å
b	11.455 ± 0.003 Å
c	11.782 ± 0.003 Å
α	97.525 ± 0.016°
β	90.09 ± 0.02°
γ	106.96 ± 0.03°
Cell volume	981.8 ± 0.5 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.0454
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.293
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
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.	4320478.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320478.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320478.cif
17674	2011-04-09	../uploads/cif-deposit/cod/cif Adding structures of 4320478 via cif-deposit CGI script.	4320478.cif