Crystallography Open Database

Information card for entry 7215971

Preview

Coordinates	7215971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H156 Co N2 O32 S10
Calculated formula	C100 H156 Co N2 O32 S10
Title of publication	Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers
Authors of publication	Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	31
Pages of publication	7172
a	12.3562 ± 0.0003 Å
b	12.5049 ± 0.0003 Å
c	19.3386 ± 0.0004 Å
α	89.472 ± 0.001°
β	80.7 ± 0.001°
γ	79.3 ± 0.001°
Cell volume	2896.85 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180490 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/59.	7215971.cif
121597	2014-08-08	cif/ Updating files of 7215970, 7215971, 7215972 Original log message: Adding full bibliography for 7215970--7215972.cif.	7215971.cif
113867	2014-05-16	cif/ Adding structures of 7215970, 7215971, 7215972 via cif-deposit CGI script.	7215971.cif