Crystallography Open Database

Information card for entry 7704219

Preview

Coordinates	7704219.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Nd(Htp)2(BH4)]2
Formula	C48 H88 B2 Nd2 P4
Calculated formula	C48 H88 B2 Nd2 P4
Title of publication	Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.
Authors of publication	Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	19
Pages of publication	6504 - 6511
a	20.3618 ± 0.0013 Å
b	12.8239 ± 0.0019 Å
c	20.685 ± 0.003 Å
α	90°
β	93.734 ± 0.01°
γ	90°
Cell volume	5389.8 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.254
Residual factor for significantly intense reflections	0.1188
Weighted residual factors for significantly intense reflections	0.2827
Weighted residual factors for all reflections included in the refinement	0.3781
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252768 (current)	2020-06-05	cif/ Updating files of 7704215, 7704216, 7704217, 7704218, 7704219, 7704220, 7704221 Original log message: Adding full bibliography for 7704215--7704221.cif.	7704219.cif
251260	2020-04-29	cif/ Adding structures of 7704215, 7704216, 7704217, 7704218, 7704219, 7704220, 7704221 via cif-deposit CGI script.	7704219.cif