Crystallography Open Database

Information card for entry 4126479

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Coordinates	4126479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H12 N2 O4 Zn
Calculated formula	C22 H12 N2 O4 Zn
Title of publication	Synthesis of Oligodiacetylene Derivatives from Flexible Porous Coordination Frameworks.
Authors of publication	Fujiwara, Yu-Ichi; Kadota, Kentaro; Nagarkar, Sanjog S.; Tobori, Prof Norio; Kitagawa, Susumu; Horike, Satoshi
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	9.129 ± 0.009 Å
b	10.152 ± 0.009 Å
c	13.569 ± 0.012 Å
α	91.57 ± 0.02°
β	91.435 ± 0.018°
γ	102.99 ± 0.02°
Cell volume	1224 ± 2 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 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	0.2282
Residual factor for significantly intense reflections	0.1236
Weighted residual factors for significantly intense reflections	0.2725
Weighted residual factors for all reflections included in the refinement	0.3269
Goodness-of-fit parameter for all reflections included in the refinement	1.313
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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