Crystallography Open Database

Information card for entry 7038832

Preview

Coordinates	7038832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 I6 N12 P1.08 Zn3
Calculated formula	C36 H24 I6 N12 P1.0804 Zn3
Title of publication	Safe P4 reagent in a reusable porous coordination network.
Authors of publication	Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	15
Pages of publication	6357 - 6360
a	6.5441 ± 0.0004 Å
b	30.1738 ± 0.0018 Å
c	12.7487 ± 0.0008 Å
α	90°
β	93.705 ± 0.003°
γ	90°
Cell volume	2512.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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