Crystallography Open Database

Information card for entry 4320480

4320479 << 4320480 >> 4320481

Preview

Coordinates	4320480.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pdopp2epz(5)
Formula	C38 H42 Cl2 N4 O4 P2 Pd
Calculated formula	C38 H42 Cl2 N4 O4 P2 Pd
SMILES	c1(ccccc1)P(=O)(c1ccccc1)OCCn1[n](c(cc1C)C)[Pd]([n]1n(CCOP(=O)(c2ccccc2)c2ccccc2)c(C)cc1C)(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	7.671 ± 0.016 Å
b	11.487 ± 0.002 Å
c	11.763 ± 0.003 Å
α	97.551 ± 0.018°
β	90 ± 0.01°
γ	106.87 ± 0.08°
Cell volume	983 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.031
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
179307 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/04.	4320480.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320480.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320480.cif
17676	2011-04-09	../uploads/cif-deposit/cod/cif Adding structures of 4320480 via cif-deposit CGI script.	4320480.cif