Crystallography Open Database

Information card for entry 1560845

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Structure parameters

Formula	C31 H44 N P Si
Calculated formula	C31 H44 N P Si
SMILES	P(C[Si](Nc1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
Title of publication	Reversible metathesis of ammonia in an acyclic germylene–Ni0 complex
Authors of publication	Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	15
Pages of publication	5582 - 5590
a	35.733 ± 0.007 Å
b	9.74 ± 0.0019 Å
c	17.97 ± 0.004 Å
α	90°
β	107.22 ± 0.03°
γ	90°
Cell volume	5974 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1560845.cif
265933	2021-06-05	cif/ Updating files of 1560843, 1560844, 1560845, 1560846, 1560847, 1560848, 1560849, 1560850, 1560851, 1560852, 1560853, 1560854, 1560855, 1560856, 1560857 Original log message: Adding full bibliography for 1560843--1560857.cif.	1560845.cif
262780	2021-03-06	cif/ Adding structures of 1560843, 1560844, 1560845, 1560846, 1560847, 1560848, 1560849, 1560850, 1560851, 1560852, 1560853, 1560854, 1560855, 1560856, 1560857 via cif-deposit CGI script.	1560845.cif