Crystallography Open Database

Information card for entry 1569926

Preview

Coordinates	1569926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H86 Cl2 Ga2 N2 P2 Pd Si2
Calculated formula	C62 H86 Cl2 Ga2 N2 P2 Pd Si2
SMILES	c1(c(cccc1C(C)C)C(C)C)N1[Ga](Cl)[Pd]2([P](C[Si]1(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)[P](C[Si](N(c1c(cccc1C(C)C)C(C)C)[Ga]2Cl)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
Title of publication	On the σ-complex character of bis(gallyl)/digallane transition metal species.
Authors of publication	Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	40
Pages of publication	11088 - 11095
a	15.714 ± 0.003 Å
b	22.937 ± 0.005 Å
c	20.691 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7458 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
287318 (current)	2023-11-06	cif/ Updating files of 1569923, 1569924, 1569925, 1569926, 1569927, 1569928 Original log message: Adding full bibliography for 1569923--1569928.cif.	1569926.cif
286472	2023-09-23	cif/ Adding structures of 1569923, 1569924, 1569925, 1569926, 1569927, 1569928 via cif-deposit CGI script.	1569926.cif