Crystallography Open Database

Information card for entry 7215291

Preview

Coordinates	7215291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N3 O2
Calculated formula	C23 H19 N3 O2
SMILES	n1c(c2ccncc2)cc(cc1c1ccncc1)c1cc(OC)c(OC)cc1
Title of publication	Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation
Authors of publication	Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	5012
a	9.4682 ± 0.0014 Å
b	10.4331 ± 0.0017 Å
c	10.7425 ± 0.0017 Å
α	67.349 ± 0.009°
β	73.251 ± 0.009°
γ	85.916 ± 0.009°
Cell volume	936.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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