Crystallography Open Database

Information card for entry 7206550

7206549 << 7206550 >> 7206551

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Coordinates	7206550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H31 Cl2 Fe N8 O8.5
Calculated formula	C42 H29 Fe N8
Title of publication	Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons
Authors of publication	Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5813
a	12.2473 ± 0.0004 Å
b	12.6914 ± 0.0005 Å
c	13.711 ± 0.0005 Å
α	79.294 ± 0.001°
β	74.263 ± 0.001°
γ	69.511 ± 0.001°
Cell volume	1911.75 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0655
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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