Crystallography Open Database

Information card for entry 2300382

Preview

Coordinates	2300382.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8.5 H7 Cu N5 O2
Calculated formula	C8.5 H7 Cu N5 O2
Title of publication	Generation and applications of structure envelopes for porous metal‒organic frameworks
Authors of publication	Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai
Journal of publication	Journal of Applied Crystallography
Year of publication	2013
Journal volume	46
Journal issue	2
Pages of publication	346 - 353
a	28.697 ± 0.002 Å
b	9.2637 ± 0.0005 Å
c	9.3223 ± 0.0005 Å
α	90°
β	116.087 ± 0.004°
γ	90°
Cell volume	2225.8 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 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 R(I) for significantly intense reflections	0.0472
Goodness-of-fit parameter for all reflections	4.07
Method of determination	powder diffraction
Diffraction radiation wavelength	0.6065 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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