Crystallography Open Database

Information card for entry 4324868

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Coordinates	4324868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H50 Cl2 N2 O2 P4 Pt
Calculated formula	C57 H50 Cl2 N2 O2 P4 Pt
Title of publication	Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline
Authors of publication	Shuanming Zhang; Roberto Pattacini; Pierre Braunstein
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3511 - 3522
a	18.8057 ± 0.0005 Å
b	12.9167 ± 0.0002 Å
c	26.358 ± 0.0006 Å
α	90°
β	128.311 ± 0.002°
γ	90°
Cell volume	5023.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation probe	x-ray
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
179351 (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 4/32/48.	4324868.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324868.cif
43319	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324868 via cif-deposit CGI script.	4324868.cif