Crystallography Open Database

Information card for entry 4513950

Preview

Coordinates	4513950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 B I N4
Calculated formula	C24 H30 B I N4
SMILES	[BH2]([n]1ccn(c1)c1c(cc(cc1C)C)C)[n]1ccn(c1)c1c(cc(cc1C)C)C.[I-]
Title of publication	Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions
Authors of publication	Lu, Zhiyao; Williams, Travis J.
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	10
Pages of publication	6670
a	8.2687 ± 0.0007 Å
b	19.3361 ± 0.0015 Å
c	8.7596 ± 0.0007 Å
α	90°
β	115.029 ± 0.001°
γ	90°
Cell volume	1269.01 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.288
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
187880 (current)	2016-11-06	cif/ Updating files of 4513948, 4513949, 4513950 Original log message: Adding full bibliography for 4513948--4513950.cif.	4513950.cif
186322	2016-09-10	cif/ Adding structures of 4513950 via cif-deposit CGI script.	4513950.cif