Crystallography Open Database

Information card for entry 4120714

4120713 << 4120714 >> 4120715

Preview

Coordinates	4120714.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MABII185
Formula	C73 H82 F12 N6 O8 Pt2 S4
Calculated formula	C73 H82 F12 N6 O8 Pt2 S4
Title of publication	Pt-Catalyzed C-C Activation Induced by C-H Activation
Authors of publication	Miriam A. Bowring; Robert G. Bergman; T. Don Tilley
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	13121 - 13128
a	12.8949 ± 0.0008 Å
b	13.1119 ± 0.0009 Å
c	23.4112 ± 0.0016 Å
α	90°
β	98.19 ± 0.003°
γ	90°
Cell volume	3917.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0356
Weighted residual factors for all reflections included in the refinement	0.0379
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178984 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/07.	4120714.cif
106816	2014-03-17	cif/ Adding structures of 4120714 via cif-deposit CGI script.	4120714.cif