Crystallography Open Database

Information card for entry 4082177

Preview

Coordinates	4082177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 O7 P W
Calculated formula	C29 H23 O7 P W
Title of publication	Annelation of Phosphole-Substituted Fischer Carbene Complexes by Alkynes
Authors of publication	Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7482
a	20.414 ± 0.002 Å
b	12.6386 ± 0.0012 Å
c	22.2892 ± 0.0018 Å
α	90°
β	106.811 ± 0.003°
γ	90°
Cell volume	5504.9 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
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	0.0522
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178710 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/21.	4082177.cif
92214	2014-01-12	cif/ Adding structures of 4082175, 4082176, 4082177, 4082178 via cif-deposit CGI script.	4082177.cif