Crystallography Open Database

Information card for entry 7044885

Preview

Coordinates	7044885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H39 B Cl N4 P Zn
Calculated formula	C14 H39 B Cl N4 P Zn
SMILES	[Zn]1(Cl)([P]([BH3])(N(CC)CC)N(CC)CC)[N](CC[N]1(C)C)(C)C
Title of publication	Synthesis, spectroscopic characterisation and transmetalation of lithium and potassium diaminophosphanide-boranes.
Authors of publication	Blum, M.; Kappler, J.; Schlindwein, S. H.; Nieger, M.; Gudat, D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	47
Journal issue	1
Pages of publication	112 - 119
a	7.7586 ± 0.0008 Å
b	29.766 ± 0.003 Å
c	9.2778 ± 0.0008 Å
α	90°
β	96.393 ± 0.004°
γ	90°
Cell volume	2129.3 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
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	0.0778
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
229390 (current)	2019-11-17	cif/ Updating files of 7044885, 7044886 Original log message: Adding full bibliography for 7044885--7044886.cif.	7044885.cif
203666	2017-11-28	cif/ Adding structures of 7044885, 7044886 via cif-deposit CGI script.	7044885.cif