Crystallography Open Database

Information card for entry 4500603

Preview

Coordinates	4500603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 I2 N4 O9 Zn2
Calculated formula	C40 H24 I2 N4 O9 Zn2
Title of publication	Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid
Authors of publication	Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	8
Pages of publication	3395
a	27.451 ± 0.005 Å
b	9.517 ± 0.0019 Å
c	16.842 ± 0.003 Å
α	90°
β	122.08 ± 0.03°
γ	90°
Cell volume	3728.1 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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