Crystallography Open Database

Information card for entry 7701714

Preview

Coordinates	7701714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113 H164 B4 Ge2 N12
Calculated formula	C113 H164 B4 Ge2 N12
Title of publication	Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.
Authors of publication	Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11951 - 11960
a	12.9973 ± 0.0001 Å
b	20.9096 ± 0.0001 Å
c	21.1512 ± 0.0002 Å
α	90°
β	103.432 ± 0.0007°
γ	90°
Cell volume	5590.98 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections	0.0848
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	0.9944
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
223342 (current)	2019-11-05	cif/ Adding structures of 7701708, 7701709, 7701710, 7701711, 7701712, 7701713, 7701714, 7701715, 7701716 via cif-deposit CGI script.	7701714.cif