Crystallography Open Database

Information card for entry 7709301

Preview

Coordinates	7709301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H130 Ca N4 Na2 O6
Calculated formula	C82 H130 Ca N4 Na2 O6
Title of publication	2-Imino-2,3-dihydrobenzoxazole-a useful platform for designing rare- and alkaline earth complexes with variable di- and trianionic O,N,N, ligands.
Authors of publication	Basalov, Ivan V.; Kissel, Alexander A.; Nikolaevskaya, Elena N.; Druzhkov, Nikolai O.; Cherkasov, Anton V.; Long, Jérôme; Larionova, Joulia; Fukin, Georgy K.; Trifonov, Alexander A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	5
Pages of publication	1995 - 2004
a	23.397 ± 0.0013 Å
b	17.8742 ± 0.001 Å
c	20.0635 ± 0.0011 Å
α	90°
β	110.496 ± 0.001°
γ	90°
Cell volume	7859.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272678 (current)	2022-02-04	cif/ Updating files of 7709299, 7709300, 7709301, 7709302 Original log message: Adding full bibliography for 7709299--7709302.cif.	7709301.cif
272047	2022-01-15	cif/ Adding structures of 7709299, 7709300, 7709301, 7709302 via cif-deposit CGI script.	7709301.cif