Crystallography Open Database

Information card for entry 4514927

Preview

Coordinates	4514927.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[1,1?-Bis(diphenylphosphino)ferrocene]dichloronickel(II)
Formula	C136 H112 Cl8 Fe4 Ni4 P8
Calculated formula	C136 H112 Cl8 Fe4 Ni4 P8
Title of publication	Characterization of Reactive Organometallic Species via MicroED.
Authors of publication	Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.
Journal of publication	ACS central science
Year of publication	2019
Journal volume	5
Journal issue	9
Pages of publication	1507 - 1513
a	19.76 ± 0.004 Å
b	10.1 ± 0.002 Å
c	14.58 ± 0.003 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	2909.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1239
Residual factor for significantly intense reflections	0.1125
Weighted residual factors for significantly intense reflections	0.2599
Weighted residual factors for all reflections included in the refinement	0.274
Goodness-of-fit parameter for all reflections included in the refinement	1.583
Diffraction radiation wavelength	0.01969 Å
Diffraction radiation type	300KeVelectrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220089 (current)	2019-10-28	cif/ Adding structures of 4514927 via cif-deposit CGI script.	4514927.cif