Crystallography Open Database

Information card for entry 7115061

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Coordinates	7115061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H53 Cl Fe N2
Calculated formula	C35 H53 Cl Fe N2
SMILES	C(C1=[N](c2c(cccc2C(C)C)C(C)C)[Fe](N(C(=C1)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)Cl)(C)(C)C
Title of publication	Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex
Authors of publication	Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1542
a	16.9014 ± 0.0011 Å
b	9.3514 ± 0.0006 Å
c	22.7756 ± 0.0015 Å
α	90°
β	107.237 ± 0.001°
γ	90°
Cell volume	3438 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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