Crystallography Open Database

Information card for entry 7124362

Preview

Coordinates	7124362.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ca2(L1)2(DMF)2(H2O)]n
Formula	C52 H46 Ca2 N4 O11
Calculated formula	C52 H42.724 Ca2 N4 O11
Title of publication	Calcium-based efficient cathode-ray scintillating metal-organic frameworks constructed from π-conjugated luminescent motifs
Authors of publication	Lu, Jian; Wu, Hui-Fang; Wang, Wen-Fei; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong
Journal of publication	Chemical Communications
Year of publication	2019
a	9.9541 ± 0.0002 Å
b	15.0085 ± 0.0003 Å
c	16.4447 ± 0.0003 Å
α	94.735 ± 0.001°
β	96.226 ± 0.001°
γ	103.502 ± 0.002°
Cell volume	2359.95 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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