Crystallography Open Database

Information card for entry 7028222

Preview

Coordinates	7028222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H58 B2 K N3 P2
Calculated formula	C41 H58 B2 K N3 P2
SMILES	[K]12[N](C)(C)CC[N]1(C)CC[N]2(C)C.[BH3]P(=C[P]([BH3])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C
Title of publication	Synthesis, characterization and reactivity of potassium and barium complexes containing phosphane-borane stabilized methanides.
Authors of publication	Langer, Jens; Görls, Helmar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	458 - 468
a	12.7824 ± 0.0003 Å
b	14.3194 ± 0.0003 Å
c	14.331 ± 0.0003 Å
α	60.252 ± 0.001°
β	83.734 ± 0.001°
γ	68.442 ± 0.001°
Cell volume	2109.38 ± 0.08 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179988 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82.	7028222.cif
105250	2014-03-12	cif/ Adding structures of 7028222, 7028223, 7028224 via cif-deposit CGI script.	7028222.cif