Crystallography Open Database

Information card for entry 7231505

Preview

Coordinates	7231505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H84 Cu4 Mn N8 O12
Calculated formula	C84 H84 Cu4 Mn N8 O12
Title of publication	Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization
Authors of publication	Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	41
Pages of publication	6490
a	33.368 ± 0.01 Å
b	11.339 ± 0.004 Å
c	22.334 ± 0.007 Å
α	90°
β	120.204 ± 0.004°
γ	90°
Cell volume	7303 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0944
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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