Crystallography Open Database

Information card for entry 7227122

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Coordinates	7227122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C264 H331 N21 O62 Zn6
Calculated formula	C204 H189 N6 O47 Zn6
Title of publication	The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene
Authors of publication	Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	4
Pages of publication	603
a	23.7409 ± 0.0014 Å
b	23.9301 ± 0.0014 Å
c	31.1933 ± 0.0016 Å
α	68.75 ± 0.005°
β	88.214 ± 0.004°
γ	60.764 ± 0.006°
Cell volume	14179 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.2211
Residual factor for significantly intense reflections	0.1727
Weighted residual factors for significantly intense reflections	0.4367
Weighted residual factors for all reflections included in the refinement	0.4728
Goodness-of-fit parameter for all reflections included in the refinement	1.484
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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