Crystallography Open Database

Information card for entry 7040010

Preview

Coordinates	7040010.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	unk
Formula	C52 H56 Cl2 Cu N4 O8
Calculated formula	C52 H56 Cl2 Cu N4 O8
SMILES	c12cc(cc(c2=[O][Cu]2([N]=1c1ccccc1Oc1ccccc1N(=O)=O)([O]=c1c(cc(C(C)(C)C)cc1=[N]2c1ccccc1Oc1ccccc1N(=O)=O)C(C)(C)C)(Cl)Cl)C(C)(C)C)C(C)(C)C
Title of publication	An unprecedented one-step synthesis of octahedral Cu(ii)-bis(iminoquinone) complexes and their reactivity with NaBH4.
Authors of publication	Mondal, Manas Kumar; Mukherjee, Chandan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	34
Pages of publication	13532 - 13540
a	33.681 ± 0.0016 Å
b	16.0902 ± 0.0007 Å
c	11.2272 ± 0.0005 Å
α	90°
β	98.919 ± 0.004°
γ	90°
Cell volume	6010.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1398
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
186415 (current)	2016-09-10	cif/ Updating files of 7040008, 7040009, 7040010 Original log message: Adding full bibliography for 7040008--7040010.cif.	7040010.cif
184601	2016-07-22	cif/ Adding structures of 7040008, 7040009, 7040010 via cif-deposit CGI script.	7040010.cif