Crystallography Open Database

Information card for entry 4106236

Preview

Coordinates	4106236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H35.5 F2 N4.5 O11 Zn2
Calculated formula	C40 H32 F2 N4.5 O11 Zn2
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	10.885 ± 0.002 Å
b	10.93 ± 0.002 Å
c	18.518 ± 0.004 Å
α	87.42 ± 0.03°
β	84.99 ± 0.03°
γ	70.57 ± 0.03°
Cell volume	2069.4 ± 0.8 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1075
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2342
Weighted residual factors for all reflections included in the refinement	0.2519
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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