Crystallography Open Database

Information card for entry 1551231

Preview

Coordinates	1551231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 B N8 O2 P W
Calculated formula	C36 H46 B N8 O2 P W
SMILES	[W]12([n]3n([BH](n4[n]2c(C)cc4C)n2[n]1c(C)cc2C)c(cc3C)C)(=CP(N(c1ccccc1)c1ccccc1)N(C(C)C)C(C)C)(C#[O])C#[O]
Title of publication	Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.
Authors of publication	Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	28
Pages of publication	10628 - 10641
a	10.8899 ± 0.0004 Å
b	11.6332 ± 0.0004 Å
c	15.5746 ± 0.0006 Å
α	83.516 ± 0.003°
β	84.985 ± 0.003°
γ	77.955 ± 0.003°
Cell volume	1913.13 ± 0.12 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
223769 (current)	2019-11-07	cif/ Updating files of 1551229, 1551230, 1551231, 1551232, 1551233 Original log message: Adding full bibliography for 1551229--1551233.cif.	1551231.cif
215698	2019-06-05	cif/ Adding structures of 1551229, 1551230, 1551231, 1551232, 1551233 via cif-deposit CGI script.	1551231.cif