Crystallography Open Database

Information card for entry 4305280

Preview

Coordinates	4305280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 N12 Ni3 O4
Calculated formula	C6 H24 N12 Ni3 O4
SMILES	C12C(=[O][Ni](O2)([NH3])([NH3])([NH3])[NH3])O[Ni]([NH3])([NH3])([O]=1)([NH3])[NH3].C(#N)[Ni](C#N)(C#N)C#N
Title of publication	Synthesis of New Copper Cyanide complexes via the Transformation of Organonitrile to Inorganic Cyanide
Authors of publication	Hong Deng; Yongcai Qiu; Carole Daiguebonne; Nicolas Kerbellec; Olivier Guillou; Matthias Zeller; Stuart R. Batten
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5866 - 5872
a	24.6282 ± 0.0005 Å
b	6.5516 ± 0.0001 Å
c	13.2914 ± 0.0002 Å
α	90°
β	116.011 ± 0.001°
γ	90°
Cell volume	1927.39 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305280.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305280.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305280.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305280.cif