Crystallography Open Database

Information card for entry 7037281

Preview

Coordinates	7037281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H28 B8 Co10 In2 O68
Calculated formula	C72 H28 B8 Co10 In2 O68
Title of publication	Co5In(BTC)4[B2O4(OH)]2: the first MOF material constructed by borate polyanions and carboxylate mixed ligands.
Authors of publication	Li, Sa-Ying; Liu, Zhi-Hong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	1
Pages of publication	66 - 69
a	11.9109 ± 0.0003 Å
b	14.3578 ± 0.0003 Å
c	22.283 ± 0.0006 Å
α	90°
β	113.733 ± 0.002°
γ	90°
Cell volume	3488.44 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0445
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
176107 (current)	2016-02-05	cif/ Updating files of 7037281 Original log message: Adding full bibliography for 7037281.cif.	7037281.cif
170380	2015-11-18	cif/ Adding structures of 7037281 via cif-deposit CGI script.	7037281.cif