Crystallography Open Database

Information card for entry 4500678

Preview

Coordinates	4500678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cu Mo8 N6 O31
Calculated formula	C28 H36 Cu Mo8 N6 O31
Title of publication	pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand
Authors of publication	Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2920
a	10.398 ± 0.005 Å
b	35.826 ± 0.005 Å
c	13.418 ± 0.005 Å
α	90 ± 0.005°
β	108.416 ± 0.005°
γ	90 ± 0.005°
Cell volume	4742 ± 3 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	0.0479
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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