Crystallography Open Database

Information card for entry 4135629

Preview

Coordinates	4135629.cif
Original paper (by DOI)	HTML

Structure parameters

Mineral name	MFM-300-Fe_ND3loaded
Formula	C8 H3 D5.04 Fe N2.23 O5
Calculated formula	C8 H3 D5.044 Fe N2.232 O5
Title of publication	High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.
Authors of publication	Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	8
Pages of publication	3153 - 3161
a	15.102 ± 0.002 Å
b	15.102 ± 0.002 Å
c	11.9998 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2736.8 ± 0.6 Å³
Cell temperature	7 K
Ambient diffraction temperature	7 K
Number of distinct elements	6
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	1.08245
Goodness-of-fit parameter for all reflections	2.83652
Method of determination	powder diffraction
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262445 (current)	2021-03-04	cif/ Updating files of 4135625, 4135626, 4135627, 4135628, 4135629, 4135630, 4135631 Original log message: Adding full bibliography for 4135625--4135631.cif.	4135629.cif
262120	2021-02-21	cif/ Adding structures of 4135629 via cif-deposit CGI script.	4135629.cif