Crystallography Open Database

Information card for entry 7709178

Preview

Coordinates	7709178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H92 Cl Ga2 N4 O P
Calculated formula	C66 H91 Cl Ga2 N4 O P
SMILES	[Ga]1(Cl)(P[Ga]2(Oc3c(cccc3C)C)N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.
Authors of publication	Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1612 - 1616
a	21.415 ± 0.002 Å
b	39.087 ± 0.004 Å
c	16.2869 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	13633 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
272693 (current)	2022-02-04	cif/ Updating files of 7709177, 7709178, 7709179, 7709180, 7709181, 7709182 Original log message: Adding full bibliography for 7709177--7709182.cif.	7709178.cif
271630	2021-12-26	cif/ Adding structures of 7709177, 7709178, 7709179, 7709180, 7709181, 7709182 via cif-deposit CGI script.	7709178.cif