Crystallography Open Database

Information card for entry 4126011

Preview

Coordinates	4126011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H62 N2 Pb
Calculated formula	C43 H62 N2 Pb
Title of publication	Low-Valent Lead Hydride and Its Extreme Low-Field (1)H NMR Chemical Shift.
Authors of publication	Schneider, Julia; Sindlinger, Christian P.; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	19
Pages of publication	6542 - 6545
a	12.2209 ± 0.0003 Å
b	12.6206 ± 0.0003 Å
c	14.2456 ± 0.0004 Å
α	75.918 ± 0.001°
β	77.453 ± 0.001°
γ	75.38 ± 0.001°
Cell volume	2033.52 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.0476
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197418 (current)	2017-06-05	cif/ Updating files of 4126011 Original log message: Adding full bibliography for 4126011.cif.	4126011.cif
196528	2017-05-06	cif/ Adding structures of 4126011 via cif-deposit CGI script.	4126011.cif