Crystallography Open Database

Information card for entry 4001409

Preview

Coordinates	4001409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H18.5 N2.5 O13.5 P3 Zn2.5
Calculated formula	C2 H3 N1.996 O13 P3 Zn2.5
Title of publication	Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels
Authors of publication	Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	25
Pages of publication	6114
a	16.0829 ± 0.0008 Å
b	16.0829 ± 0.0008 Å
c	29.805 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7709.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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