Crystallography Open Database

Information card for entry 7203299

7203298 << 7203299 >> 7203300

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Coordinates	7203299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Fe0.5 N O5 S17
Calculated formula	C27 H25 Fe0.5 N O5 S17
Title of publication	The first organic molecule-based metal containing ferrocene
Authors of publication	Keigo Furuta; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; Scott S. Turner
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	16
Pages of publication	1504
a	9.0105 ± 0.0013 Å
b	11.5303 ± 0.001 Å
c	19.219 ± 0.002 Å
α	98.337 ± 0.004°
β	99.0796 ± 0.0011°
γ	103.549 ± 0.0008°
Cell volume	1882.1 ± 0.4 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 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	0.1012
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for all reflections	0.043
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0403
Goodness-of-fit parameter for all reflections included in the refinement	1.2661
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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