Crystallography Open Database

Information card for entry 7702296

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Coordinates	7702296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Fe N2 O2
Calculated formula	C26 H40 Fe N2 O2
Title of publication	Synthesis and structural characterization of Group 4 metallocene complexes that contain remote carboxamide functionalities at their Cp-side chains
Authors of publication	Doris Huerlander; Roland Frohlich; Gerhard Erker
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Pages of publication	1513 - 1520
a	6.001 ± 0.001 Å
b	8.113 ± 0.001 Å
c	12.399 ± 0.001 Å
α	99.19 ± 0.01°
β	94.36 ± 0.01°
γ	93.36 ± 0.01°
Cell volume	592.65 ± 0.13 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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