Crystallography Open Database

Information card for entry 4335459

Preview

Coordinates	4335459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H52 B2 I2 P2 Pt
Calculated formula	C30 H52 B2 I2 P2 Pt
SMILES	[Pt]1(I)([P](CC)(CC)CC)([P](CC)(CC)CC)B(c2c(cc(cc2C)C)C)[B]1(I)c1c(cc(cc1C)C)C
Title of publication	Diboran(4)yl Platinum(II) Complexes
Authors of publication	Holger Braunschweig; Alexander Damme; Thomas Kupfer
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7822 - 7824
a	10.2358 ± 0.0008 Å
b	14.211 ± 0.0012 Å
c	11.9534 ± 0.001 Å
α	90°
β	90.376 ± 0.004°
γ	90°
Cell volume	1738.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0185
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335459.cif
101388	2014-02-13	cif/ Adding structures of 4335459 via cif-deposit CGI script.	4335459.cif