Crystallography Open Database

Information card for entry 4505506

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Coordinates	4505506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H29 Co N6 O13
Calculated formula	C42 H29 Co N6 O13
Title of publication	Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule
Authors of publication	Ali, Afsar; Hundal, Geeta; Gupta, Rajeev
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1308
a	25.186 ± 0.0017 Å
b	25.186 ± 0.0017 Å
c	33.184 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	18230 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.273
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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