Crystallography Open Database

Information card for entry 7208412

7208411 << 7208412 >> 7208413

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Coordinates	7208412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 Ca N3 O5
Calculated formula	C10 H4 Ca N3 O5
Title of publication	Fine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels
Authors of publication	Mallick, Arijit; Schön, Eva-Maria; Panda, Tamas; Sreenivas, K.; Díaz, David Díaz; Banerjee, Rahul
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	30
Pages of publication	14951
a	19.346 ± 0.002 Å
b	24.081 ± 0.003 Å
c	14.2543 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	6640.7 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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