Crystallography Open Database

Information card for entry 1560222

Preview

Coordinates	1560222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H39 Br Cl3 Mn O3 P2
Calculated formula	C30.5 H39 Br Cl3 Mn O3 P2
Title of publication	A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation
Authors of publication	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	10
Pages of publication	3693 - 3701
a	12.12 ± 0.005 Å
b	18.798 ± 0.008 Å
c	15.683 ± 0.006 Å
α	90°
β	111.303 ± 0.006°
γ	90°
Cell volume	3329 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263670 (current)	2021-04-05	cif/ Updating files of 1560218, 1560219, 1560220, 1560221, 1560222, 1560223, 1560224, 1560225, 1560226, 1560227, 1560228, 1560229, 1560230, 1560231, 1560232, 1560233 Original log message: Adding full bibliography for 1560218--1560233.cif.	1560222.cif
261315	2021-01-30	cif/ Adding structures of 1560218, 1560219, 1560220, 1560221, 1560222, 1560223, 1560224, 1560225, 1560226, 1560227, 1560228, 1560229, 1560230, 1560231, 1560232, 1560233 via cif-deposit CGI script.	1560222.cif