Crystallography Open Database

Information card for entry 4327564

Preview

Coordinates	4327564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 Br2 Cl2 Hg N2 Pt
Calculated formula	C22 H34 Br2 Cl2 Hg N2 Pt
SMILES	[Pt]1([Hg]Br)(Br)([n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C)(C)C.ClCCCl
Title of publication	Mechanism of Oxidative Addition of Mercury(II) Compounds to Platinum(II)
Authors of publication	Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1728 - 1729
a	11.6049 ± 0.0003 Å
b	21.1626 ± 0.0007 Å
c	13.069 ± 0.0003 Å
α	90°
β	116.163 ± 0.002°
γ	90°
Cell volume	2880.77 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0664
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179378 (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 4/32/75.	4327564.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327564.cif
61386	2012-07-04	cif/ Adding structures of 4327564 via cif-deposit CGI script.	4327564.cif