Crystallography Open Database

Information card for entry 7110897

Preview

Coordinates	7110897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H47 P2
Calculated formula	C59 H47 P2
Title of publication	Formation of a diphosphine: synthesis and molecular structure of bis(tetraphenylbutadienyl)diphosphine, (Ph4C4)P‒P(C4Ph4)
Authors of publication	Vohs, Jason K.; Wei, Pingrong; Su, Jianrui; Beck, Brent C.; Goodwin, Sonya D.; Robinson, Gregory H.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	12
Pages of publication	1037
a	28.092 ± 0.004 Å
b	13.6821 ± 0.0016 Å
c	24.311 ± 0.002 Å
α	90°
β	98.078 ± 0.005°
γ	90°
Cell volume	9251.4 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.1026
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110897.cif
96004	2014-01-28	cif/ Adding structures of 7110897 via cif-deposit CGI script.	7110897.cif