Crystallography Open Database

Information card for entry 4083921

Preview

Coordinates	4083921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H108 F Hf4 N4 O2
Calculated formula	C82 H108 F Hf4 N4 O2
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	9.3308 ± 0.0008 Å
b	11.3211 ± 0.0009 Å
c	17.9171 ± 0.0015 Å
α	85.088 ± 0.001°
β	77.59 ± 0.001°
γ	82.518 ± 0.001°
Cell volume	1829.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0185
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0377
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
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.	4083921.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.	4083921.cif
119599	2014-07-08	cif/ Adding structures of 4083916, 4083917, 4083918, 4083919, 4083920, 4083921, 4083922, 4083923, 4083924 via cif-deposit CGI script.	4083921.cif