Crystallography Open Database

Information card for entry 7001498

Preview

Coordinates	7001498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H60 B2 O7 P4
Calculated formula	C47 H60 B2 O7 P4
SMILES	C(P(=O)(OCC)OCC)(Cc1ccc(cc1)[P]([BH3])(c1ccccc1)c1ccccc1)(P(=O)(OCC)OCC)Cc1ccc(cc1)[P]([BH3])(c1ccccc1)c1ccccc1.O
Title of publication	Complexes of hydrophilic triphenylphosphines modified with gem-bis(phosphonate) moiety. An unusual simultaneous cis and trans arrangements in the Pt(ii) dinuclear complex
Authors of publication	Drahoš, Bohuslav; Rohlík, Zbyněk; Kotek, Jan; Císařová, Ivana; Hermann, Petr
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	25
Pages of publication	4942 - 4953
a	23.2795 ± 0.0003 Å
b	14.6939 ± 0.0001 Å
c	14.221 ± 0.0002 Å
α	90°
β	105.99 ± 0.0006°
γ	90°
Cell volume	4676.32 ± 0.1 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
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	0.0603
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179712 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/14.	7001498.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001498.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001498.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001498.cif