Crystallography Open Database

Information card for entry 7709181

Preview

Coordinates	7709181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H99 Cl Ga2 N5 P
Calculated formula	C68 H99 Cl Ga2 N5 P
SMILES	[Ga]1(Cl)(P[Ga]2(N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)NC(C)C)[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)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	18.4348 ± 0.0008 Å
b	16.878 ± 0.0008 Å
c	41.2991 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	12849.9 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7709181.cif
271630	2021-12-26	cif/ Adding structures of 7709177, 7709178, 7709179, 7709180, 7709181, 7709182 via cif-deposit CGI script.	7709181.cif