Crystallography Open Database

Information card for entry 4106235

Preview

Coordinates	4106235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 N O4 Zn
Calculated formula	C16 H10 N O4 Zn
Title of publication	Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media
Authors of publication	Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9005 - 9013
a	11.426 ± 0.002 Å
b	18.457 ± 0.004 Å
c	18.34 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3867.7 ± 1.4 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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