Crystallography Open Database

Information card for entry 7117036

Preview

Coordinates	7117036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H48 B N4 O P
Calculated formula	C49 H48 B N4 O P
Title of publication	Remarkably stable chelating bis-N-heterocyclic carbene adducts of phosphorus(I) cations
Authors of publication	Justin F. Binder; Ala'aeddeen Swidan; Martin Tang; Jennifer H. Nguyen; Charles L. B. Macdonald
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	7741
a	11.0003 ± 0.0004 Å
b	13.6439 ± 0.0005 Å
c	14.0585 ± 0.0005 Å
α	77.876 ± 0.002°
β	79.118 ± 0.002°
γ	87.493 ± 0.002°
Cell volume	2025.82 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180284 (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 7/11/70.	7117036.cif
135334	2015-04-23	cif/ Adding structures of 7117033, 7117034, 7117035, 7117036, 7117037, 7117038 via cif-deposit CGI script.	7117036.cif