Crystallography Open Database

Information card for entry 2023208

2023207 << 2023208 >> 2023209

Preview

Coordinates	2023208.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[(η^5^-<i>tert</i>-butylcyclopentadienyl)tricarbonylmolybdenum(I)](<i>Mo</i>—<i>Mo</i>)
Formula	C24 H26 Mo2 O6
Calculated formula	C24 H26 Mo2 O6
Title of publication	Crystal structure of bis[(η5-tert-butylcyclopentadienyl)tricarbonylmolybdenum(I)](Mo—Mo)
Authors of publication	Ibrahimova, Nigar Z.; Tagiyev, Dilgam B.; Lyatifov, Iltifat U.; Akkurt, Mehmet; Hasanov, Khudayar I.; Bhattarai, Ajaya
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	8
a	12.1857 ± 0.0007 Å
b	8.0515 ± 0.0005 Å
c	12.6153 ± 0.0008 Å
α	90°
β	105.49 ± 0.002°
γ	90°
Cell volume	1192.77 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0362
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
293523 (current)	2024-07-24	cif/ Adding structures of 2023208 via cif-deposit CGI script.	2023208.cif