Crystallography Open Database

Information card for entry 7225182

Preview

Coordinates	7225182.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N'-dimethylformamide) solvate
Formula	C144 H156 Co12 N12 O60
Calculated formula	C126 H114 Co12 N6 O54
SMILES	c12cccc3C(=O)c4cccc5[O]6[Co]789([O]%10c%11cccc%12C(=O)c%13cccc%14[O]%15[Co]%16%17%18([O]%19c%20cccc%21C(=O)c%22cccc%23[O]%24[Co]%25%26%27([O]%28c%29cccc%30C(=O)c%31cccc%32[O]%33[Co]%34%35%36([O]%37c%38cccc%39C(=O)c%40cccc%41[O]%42[Co]%43%44%45([O]%46c%47cccc%48C(=O)c%49cccc%50[O]%51[Co]%52%53%54([O]1[Co]1%51([O]=C([O]%53[Co]6%10([O]%52=C(c45)c23)([O]=C(O%54)C)[O]=C([O]8[Co]%15%19([O]=C([O]%17[Co]%24%28([O]%16=C(c%22%23)c%20%21)([O]=C(O%18)C)[O]=C([O]%26[Co]%33%37([O]=C([O]%35[Co]%42%46([O]%34=C(c%40%41)c%38%39)([O]=C(O%36)C)[O]=C([O]%441)C)C)([O]%25=C(c%31%32)c%29%30)[O]=C(O%27)C)C)C)([O]7=C(c%13%14)c%11%12)[O]=C(O9)C)C)C)([O]%43=C(c%49%50)c%47%48)[O]=C(O%45)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	28.6873 ± 0.0009 Å
b	28.6873 ± 0.0009 Å
c	15.9087 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	11338.2 ± 0.9 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 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	0.1194
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
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.	7225182.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.	7225182.cif