Crystallography Open Database

Information card for entry 1552003

1552002 << 1552003 >> 1552004

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Structure parameters

Formula	C63 H92 B2 Ge2 N6
Calculated formula	C63 H92 B2 Ge2 N6
SMILES	[Ge]([Ge](B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(C)N1C(C)C)C)C(C)C)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	A stable heavier group 14 analogue of vinylidene
Authors of publication	Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge
Journal of publication	Nature Chemistry
Year of publication	2016
Journal volume	8
Pages of publication	1022 - 1026
a	51.304 ± 0.002 Å
b	13.7692 ± 0.0006 Å
c	27.1756 ± 0.0005 Å
α	90°
β	101.731 ± 0.003°
γ	90°
Cell volume	18796.3 ± 1.2 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	0.1066
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2115
Weighted residual factors for all reflections included in the refinement	0.2418
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1552003.cif
216812	2019-07-08	cif/ Adding structures of 1552003 via cif-deposit CGI script.	1552003.cif