Crystallography Open Database

Information card for entry 4082470

Preview

Coordinates	4082470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H74 Ag Cl7 N2
Calculated formula	C103 H74 Ag Cl7 N2
Title of publication	IPr*(2-Np)—An Exceedingly Bulky N-Heterocyclic Carbene
Authors of publication	Dierick, Steve; Dewez, Damien F.; Markó, István E.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	677
a	14.0393 ± 0.0011 Å
b	14.4179 ± 0.001 Å
c	24.8519 ± 0.0017 Å
α	73.245 ± 0.005°
β	82.809 ± 0.006°
γ	77.903 ± 0.006°
Cell volume	4698.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2142
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178713 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24.	4082470.cif
104415	2014-03-11	cif/ Adding structures of 4082469, 4082470, 4082471 via cif-deposit CGI script.	4082470.cif