Crystallography Open Database

Information card for entry 7225190

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Coordinates	7225190.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-tetra-cobalt(II) N,N-dimethylformamide solvate
Formula	C144 H156 N12 Ni12 O60
Calculated formula	C126 H114 N6 Ni12 O54
SMILES	c12cccc3c1C1c4c(C3=O)cccc4[O]3[Ni]456([O]7c8cccc9c8C8c%10c(C9=O)cccc%10[O]9[Ni]%10%11%12([O]%13c%14cccc%15c%14C%14c%16c(C%15=O)cccc%16[O]%15[Ni]%16%17%18([O]%19c%20cccc%21c%20C%20c%22c(C%21=O)cccc%22[O]%21[Ni]%22%23%24([O]%25c%26cccc%27c%26C%26c%28c(C%27=O)cccc%28[O]%27[Ni]%28%29%30([O]%31c%32cccc%33c%32C%32c%34c(C%33=O)cccc%34[O]%33[Ni]%34%35%36([O]2[Ni]2%33([O]=C([O]%35[Ni]37([O]=1%34)([O]=C(O%36)C)[O]=C([O]5[Ni]9%13([O]=C([O]%11[Ni]%15%19([O]%10=%14)([O]=C(O%12)C)[O]=C([O]%17[Ni]%21%25([O]=C([O]%23[Ni]%27%31([O]%22=%26)([O]=C(O%24)C)[O]=C([O]%292)C)C)([O]%16=%20)[O]=C(O%18)C)C)C)([O]4=8)[O]=C(O6)C)C)C)([O]%28=%32)[O]=C(O%30)C)[O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C
Title of publication	Transition metal coordination complexes of chrysazin
Authors of publication	Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	27
Pages of publication	5121
a	28.6809 ± 0.0007 Å
b	28.6809 ± 0.0007 Å
c	15.8967 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	11324.6 ± 0.5 Å³
Cell temperature	120.1 ± 0.14 K
Ambient diffraction temperature	120.1 ± 0.14 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185227 (current)	2016-08-07	cif/ Updating files of 7225182, 7225183, 7225184, 7225185, 7225186, 7225187, 7225188, 7225189, 7225190, 7225191, 7225192 Original log message: Adding full bibliography for 7225182--7225192.cif.	7225190.cif
182887	2016-05-12	cif/ Adding structures of 7225182, 7225183, 7225184, 7225185, 7225186, 7225187, 7225188, 7225189, 7225190, 7225191, 7225192 via cif-deposit CGI script.	7225190.cif