Crystallography Open Database

Information card for entry 4071716

Preview

Coordinates	4071716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Ni
Calculated formula	C22 H20 Ni
SMILES	[Ni]123456(C7[C@H](C[CH]2=[CH]17)c1ccccc1c1ccccc1)[cH]1[cH]3[cH]4[cH]5[cH]61
Title of publication	Products of the Reaction of 9-Nickelafluorenyllithium Complexes with Water
Authors of publication	Buchalski, Piotr; Jadach, Patryk; Pietrzykowski, Antoni; Suwińska, Kinga; Jerzykiewicz, Lucjan; Sadło, Jarosław
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	14
Pages of publication	3618
a	5.7888 ± 0.0002 Å
b	13.1587 ± 0.0006 Å
c	11.1799 ± 0.0005 Å
α	90°
β	103.979 ± 0.002°
γ	90°
Cell volume	826.39 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
178606 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17.	4071716.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071716.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071716.cif
43994	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071716, 4071717, 4071718 via cif-deposit CGI script.	4071716.cif