Crystallography Open Database

Information card for entry 7223752

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Coordinates	7223752.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BariumMOF
Formula	C29 H17 Ba N O7
Calculated formula	C29 H17 Ba N O7
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	7.2993 ± 0.0002 Å
b	19.3615 ± 0.0006 Å
c	26.0984 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3688.4 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.255
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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