Crystallography Open Database

Information card for entry 4083917

Preview

Coordinates	4083917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H61 Hf2 N3 O3
Calculated formula	C41 H61 Hf2 N3 O3
Title of publication	N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex
Authors of publication	Semproni, Scott P.; Chirik, Paul J.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	14
Pages of publication	3727
a	19.8375 ± 0.0007 Å
b	11.5386 ± 0.0004 Å
c	18.1581 ± 0.0007 Å
α	90°
β	95.532 ± 0.001°
γ	90°
Cell volume	4137 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0261
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	0.759
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
178728 (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 4/08/39.	4083917.cif
121335	2014-08-05	cif/ Updating files of 4083916, 4083917, 4083918, 4083919, 4083920, 4083921, 4083922, 4083923, 4083924 Original log message: Adding full bibliography for 4083916--4083924.cif.	4083917.cif
119599	2014-07-08	cif/ Adding structures of 4083916, 4083917, 4083918, 4083919, 4083920, 4083921, 4083922, 4083923, 4083924 via cif-deposit CGI script.	4083917.cif