Crystallography Open Database

Information card for entry 7104284

Preview

Coordinates	7104284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H44 Cl2 Fe N6.5 O11.25
Calculated formula	C43 H43.5 Cl2 Fe N6.5 O11.25
Title of publication	Self-assembling optically pure Fe(A-B)3 chelates.
Authors of publication	Howson, Suzanne E; Allan, Laura E N; Chmel, Nikola P; Clarkson, Guy J; van Gorkum, Remy; Scott, Peter
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	13
Pages of publication	1727 - 1729
a	18.5532 ± 0.0006 Å
b	12.1579 ± 0.0002 Å
c	19.1141 ± 0.0006 Å
α	90°
β	90.786 ± 0.001°
γ	90°
Cell volume	4311.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1209
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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