Crystallography Open Database

Information card for entry 4071718

Preview

Coordinates	4071718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 Ni3
Calculated formula	C30 H29 Ni3
SMILES	[Ni]1234([c]5([cH]4[cH]3[cH]2[cH]15)C)[C]12[Ni]3456([c]7([cH]6[cH]5[cH]4[cH]37)C)[C]=1([Ni]1345[c]6([cH]1[cH]3[cH]4[cH]56)C)C=CC(=C2)c1ccccc1
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	16.393 ± 0.006 Å
b	9.319 ± 0.005 Å
c	17.292 ± 0.007 Å
α	90°
β	109.71 ± 0.05°
γ	90°
Cell volume	2487 ± 2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1109
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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.	4071718.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071718.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071718.cif
43994	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071716, 4071717, 4071718 via cif-deposit CGI script.	4071718.cif