Crystallography Open Database

Information card for entry 7206831

7206830 << 7206831 >> 7206832

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Coordinates	7206831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H46 Br2 N6 O5.5 Zn
Calculated formula	C37 H41.5 Br2 N6 O5.5 Zn
Title of publication	Zinc(ii) coordination polymers with pseudopeptidic ligands
Authors of publication	Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	23
Pages of publication	6997
a	13.37139 ± 0.00006 Å
b	13.37139 ± 0.00006 Å
c	41.4227 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	6413.9 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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