Crystallography Open Database

Information card for entry 4505509

Preview

Coordinates	4505509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29 Co N6 O13
Calculated formula	C38 H26 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	10.3708 ± 0.0003 Å
b	15.3526 ± 0.0005 Å
c	15.0072 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2389.43 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2198
Weighted residual factors for all reflections included in the refinement	0.2277
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179590 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/55.	4505509.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505509.cif
51782	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505505, 4505506, 4505507, 4505508, 4505509 via cif-deposit CGI script.	4505509.cif