Crystallography Open Database

Information card for entry 7040027

Preview

Coordinates	7040027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H154 F24 Ir6 N14 O38 S8 Zn
Calculated formula	C116 H136 F18 Ir6 N14 O28 S6 Zn
Title of publication	A nonanuclear triangular macrocycle and a linear heptanuclear heterometallic complex based on a 2-substituted imidazole-4,5-dicarboxylate ligand.
Authors of publication	Lin, Yue-Jian; Shan, Wei-Long; Jin, Guo-Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	32
Pages of publication	12680 - 12684
a	19.0018 ± 0.0014 Å
b	18.9291 ± 0.0014 Å
c	22.3003 ± 0.0017 Å
α	90°
β	112.696 ± 0.001°
γ	90°
Cell volume	7400 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1541
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
186432 (current)	2016-09-10	cif/ Updating files of 7040026, 7040027, 7040028 Original log message: Adding full bibliography for 7040026--7040028.cif.	7040027.cif
184634	2016-07-23	cif/ Adding structures of 7040026, 7040027, 7040028 via cif-deposit CGI script.	7040027.cif