Crystallography Open Database

Information card for entry 1552005

1552004 << 1552005 >> 1552006

Preview

Coordinates	1552005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H94 B2 Ge2 N6
Calculated formula	C63 H94 B2 Ge2 N6
SMILES	B1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Ge](=C1N(C(=C(N1C(C)C)C)C)C(C)C)[GeH]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	16.8587 ± 0.0002 Å
b	19.0488 ± 0.0002 Å
c	19.5197 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6268.52 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216814 (current)	2019-07-08	cif/ Adding structures of 1552005 via cif-deposit CGI script.	1552005.cif