Crystallography Open Database

Information card for entry 7710148

Preview

Coordinates	7710148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H50 Ga O P
Calculated formula	C49 H50 Ga O P
SMILES	[Ga](P=C=O)(c1c(c2c(C)cc(cc2C)C)cccc1c1c(C)cc(cc1C)C)c1c(c2c(C)cc(cc2C)C)cccc1c1c(cc(cc1C)C)C
Title of publication	Heavier Bis(m-terphenyl)element phosphaethynolates of Group 13
Authors of publication	Duvinage, Daniel; Janssen, Marvin; Lork, Enno; Grützmacher, Hansjörg; Mebs, Stefan; Beckmann, Jens
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.4559 ± 0.0007 Å
b	11.2875 ± 0.0007 Å
c	16.79 ± 0.001 Å
α	88.711 ± 0.002°
β	81.094 ± 0.003°
γ	82.517 ± 0.003°
Cell volume	1941 ± 0.2 Å³
Cell temperature	99.99 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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