Crystallography Open Database

Information card for entry 1552006

1552005 << 1552006 >> 1552007

Preview

Coordinates	1552006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 B2 Ge2 N4
Calculated formula	C52 H72 B2 Ge2 N4
SMILES	[Ge]([Ge])(B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(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	22.4542 ± 0.0007 Å
b	10.5244 ± 0.0003 Å
c	23.651 ± 0.0008 Å
α	90°
β	112.271 ± 0.004°
γ	90°
Cell volume	5172.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
216815 (current)	2019-07-08	cif/ Adding structures of 1552006 via cif-deposit CGI script.	1552006.cif