Crystallography Open Database

Information card for entry 4072724

Preview

Coordinates	4072724.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	mbn23
Formula	C45 H35 N P2 Pt
Calculated formula	C45 H35 N P2 Pt
SMILES	C(#Cc1ccc(cc1)C#N)[PtH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Rearrangement or C−H Activation Processes Promoted by Reaction with the Solvate [cis-Pt(C6F5)2(thf)2]
Authors of publication	Berenguer, Jesús R.; Bernechea, María; Lalinde, Elena
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	5
Pages of publication	1161
a	15.5902 ± 0.0003 Å
b	16.2396 ± 0.0004 Å
c	15.3325 ± 0.0004 Å
α	90°
β	113.62 ± 0.001°
γ	90°
Cell volume	3556.65 ± 0.15 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178616 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/27.	4072724.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072724.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072724.cif
45970	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072724, 4072725, 4072726, 4072727, 4072728, 4072729, 4072730 via cif-deposit CGI script.	4072724.cif