Crystallography Open Database

Information card for entry 7219972

7219971 << 7219972 >> 7219973

Preview

Coordinates	7219972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C297.58 H466 Cu24 N35.6 O172.7
Calculated formula	C273.58 H96 Cu24 N27.6 O144.7
Title of publication	Mother structures related to the hexagonal and cubic close packing in Cu24clusters: solvent-influenced derivatives
Authors of publication	Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	17
Pages of publication	3297
a	24.4797 ± 0.0003 Å
b	24.5938 ± 0.0003 Å
c	25.2374 ± 0.0003 Å
α	118.436 ± 0.001°
β	111.969 ± 0.001°
γ	94.229 ± 0.001°
Cell volume	11784.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.2564
Weighted residual factors for all reflections included in the refinement	0.2744
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7219972.cif
138565	2015-06-07	cif/ Updating files of 7219972 Original log message: Adding full bibliography for 7219972.cif.	7219972.cif
134305	2015-03-24	cif/ Adding structures of 7219972 via cif-deposit CGI script.	7219972.cif