Crystallography Open Database

Information card for entry 7126973

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Coordinates	7126973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 Ca F6 N8 O8
Calculated formula	C40 H30 Ca F6 N8 O8
Title of publication	Unexpected discovery of calcium cryptates with exceptional stability.
Authors of publication	Trautnitz, Markus F. K.; Haas, Tobias; Schubert, Hartmut; Seitz, Michael
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	68
Pages of publication	9874 - 9877
a	27.4699 ± 0.0011 Å
b	9.5594 ± 0.0004 Å
c	18.4011 ± 0.0007 Å
α	90°
β	129.344 ± 0.002°
γ	90°
Cell volume	3736.9 ± 0.3 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	0.1415
Residual factor for significantly intense reflections	0.1028
Weighted residual factors for significantly intense reflections	0.256
Weighted residual factors for all reflections included in the refinement	0.2847
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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