Crystallography Open Database

Information card for entry 4341482

Preview

Coordinates	4341482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H30 N12 O9 Re3
Calculated formula	C45 H30 N12 O9 Re3
Title of publication	Spheroid metallocavitands with eight calixarene-shaped receptors on the surface.
Authors of publication	Shankar, Bhaskaran; Elumalai, Palani; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10018 - 10020
a	23.7317 ± 0.0015 Å
b	17.1337 ± 0.0007 Å
c	27.681 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	11255.4 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1588
Residual factor for significantly intense reflections	0.1131
Weighted residual factors for significantly intense reflections	0.2525
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	1.225
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
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341482.cif
126688	2014-11-10	cif/ Adding structures of 4341482 via cif-deposit CGI script.	4341482.cif