Crystallography Open Database

Information card for entry 4332201

Preview

Coordinates	4332201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H56 Cl4 Cu4 N4 Ni2 O10
Calculated formula	C26 H56 Cl4 Cu4 N4 Ni2 O10
SMILES	C1(=CC(=[O][Ni]234(O1)[O]15CC[N](C)(C)[Cu]61([OH]1[Cu]756([N](CC[O]27[Ni]251(OC(=CC(=[O]2)C)C)[O]12CC[N](C)(C)[Cu]61([OH]3[Cu]126([N](CC[O]451)(C)C)Cl)Cl)(C)C)Cl)Cl)C)C
Title of publication	Synthesis of Isostructural Cage Complexes of Copper with Cobalt and Nickel for Deposition of Mixed Ceramic Oxide Materials
Authors of publication	Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Zeller, Matthias; Molloy, Kieran C.; Hunter, Allen D.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10457 - 10466
a	10.583 ± 0.0002 Å
b	10.646 ± 0.0002 Å
c	19.612 ± 0.0004 Å
α	90°
β	98.063 ± 0.001°
γ	90°
Cell volume	2187.77 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0492
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179425 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332201.cif
98163	2014-01-29	cif/ Adding structures of 4332201 via cif-deposit CGI script.	4332201.cif