Crystallography Open Database

Information card for entry 7223750

Preview

Coordinates	7223750.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CalciumMOF
Formula	C72.5 H54.5 Ca3.5 N2.5 O23
Calculated formula	C72.5 H54.5 Ca3.5 N2.5 O23
Title of publication	A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation
Authors of publication	Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1046
a	28.281 ± 0.004 Å
b	20.849 ± 0.003 Å
c	30.699 ± 0.004 Å
α	90°
β	90.994 ± 0.009°
γ	90°
Cell volume	18098 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.2647
Residual factor for significantly intense reflections	0.125
Weighted residual factors for significantly intense reflections	0.2347
Weighted residual factors for all reflections included in the refinement	0.2952
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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