Crystallography Open Database

Information card for entry 7714955

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Coordinates	7714955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H48 B18 Fe N4
Calculated formula	C16 H48 B18 Fe N4
Title of publication	Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.
Authors of publication	Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	3363 - 3376
a	11.7267 ± 0.0003 Å
b	9.391 ± 0.0003 Å
c	13.8172 ± 0.0004 Å
α	90°
β	109.048 ± 0.001°
γ	90°
Cell volume	1438.31 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290195 (current)	2024-03-04	cif/ Updating files of 7714955, 7714956, 7714957, 7714958, 7714959, 7714960 Original log message: Adding full bibliography for 7714955--7714960.cif.	7714955.cif
288990	2024-01-10	cif/ Adding structures of 7714955, 7714956, 7714957, 7714958, 7714959, 7714960 via cif-deposit CGI script.	7714955.cif